Molecule

ID:134372

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₄
Molecular Mass
120.10392
Exact Mass
120.04225874
Charge
0
InChI
InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3+,4?/m1/s1
InChIKey
FMAORJIQYMIRHF-BCDHYOAOSA-N
Canonic Smiles
O[C@H]1[C@H](O)COC1O
Isomeric Smiles
C1[C@H]([C@@H](C(O1)O)O)O
Calculated Properties
JChem
Acid pKa
11.32051
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.67187
LogD (pH = 7.4)
-1.6719214
Log P
-1.6718693
Molar Refractivity
23.9984
Polarizability
10.125124
Polar Surface Area
69.92
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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